CID 453100

2',3'-dideoxyxanthosine

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=O)NC3=O
InChI
InChI=1S/C10H12N4O4/c15-3-5-1-2-6(18-5)14-4-11-7-8(14)12-10(17)13-9(7)16/h4-6,15H,1-3H2,(H2,12,13,16,17)/t5-,6+/m0/s1
InChIKey
PDCOZUSCDLLKIV-NTSWFWBYSA-N
Compound name
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

252.08586 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 152.5
[M+Na]+ 275.07508 163.4
[M-H]- 251.07858 153.2
[M+NH4]+ 270.11968 165.7
[M+K]+ 291.04902 159.4
[M+H-H2O]+ 235.08312 145.0
[M+HCOO]- 297.08406 168.4
[M+CH3COO]- 311.09971 163.8
[M+Na-2H]- 273.06053 155.0
[M]+ 252.08531 152.3
[M]- 252.08641 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe